N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-6-keto-4,5-dihydro-1H-pyridazine-3-carboxamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NNC(=O)CC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=NNC(=O)CC3

InChI

InChI=1S/C17H22N4O4S/c22-16-9-8-15(19-20-16)17(23)18-13-6-5-7-14(12-13)26(24,25)21-10-3-1-2-4-11-21/h5-7,12H,1-4,8-11H2,(H,18,23)(H,20,22)